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	hartrees
Energy at 0K	-117.781474
Energy at 298.15K
HF Energy	-117.628715
Nuclear repulsion energy	75.739970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3163	3163	0.00	255.45	0.04	0.08
2	A₁'	1550	1550	0.00	2.43	0.73	0.84
3	A₁'	1230	1230	0.00	29.86	0.08	0.14
4	A₁"	1174	1174	0.00	0.00	0.75	0.86
5	A₂'	1092	1092	0.00	0.00	0.75	0.86
6	A₂"	3256	3256	45.37	0.00	0.75	0.86
7	A₂"	871	871	0.40	0.00	0.75	0.86
8	E'	3154	3154	29.46	23.48	0.75	0.86
8	E'	3154	3154	29.46	23.48	0.75	0.86
9	E'	1500	1500	1.85	7.05	0.75	0.86
9	E'	1500	1500	1.85	7.05	0.75	0.86
10	E'	1069	1069	11.73	0.25	0.75	0.86
10	E'	1069	1069	11.73	0.25	0.75	0.86
11	E'	897	897	20.76	12.97	0.75	0.86
11	E'	897	897	20.76	12.97	0.75	0.86
12	E"	3234	3234	0.00	99.98	0.75	0.86
12	E"	3234	3234	0.00	99.98	0.75	0.86
13	E"	1234	1234	0.00	6.02	0.75	0.86
13	E"	1234	1234	0.00	6.02	0.75	0.86
14	E"	757	757	0.00	1.51	0.75	0.86
14	E"	757	757	0.00	1.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.870	0.000
C2	0.754	-0.435	0.000
C3	-0.754	-0.435	0.000
H4	0.000	1.458	0.909
H5	1.262	-0.729	0.909
H6	-1.262	-0.729	0.909
H7	0.000	1.458	-0.909
H8	1.262	-0.729	-0.909
H9	-1.262	-0.729	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5073	1.5073	1.0827	2.2311	2.2311	1.0827	2.2311	2.2311
C2	1.5073		1.5073	2.2311	1.0827	2.2311	2.2311	1.0827	2.2311
C3	1.5073	1.5073		2.2311	2.2311	1.0827	2.2311	2.2311	1.0827
H4	1.0827	2.2311	2.2311		2.5247	2.5247	1.8190	3.1117	3.1117
H5	2.2311	1.0827	2.2311	2.5247		2.5247	3.1117	1.8190	3.1117
H6	2.2311	2.2311	1.0827	2.5247	2.5247		3.1117	3.1117	1.8190
H7	1.0827	2.2311	2.2311	1.8190	3.1117	3.1117		2.5247	2.5247
H8	2.2311	1.0827	2.2311	3.1117	1.8190	3.1117	2.5247		2.5247
H9	2.2311	2.2311	1.0827	3.1117	3.1117	1.8190	2.5247	2.5247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.025
C1	C2	H8	118.025	C1	C3	C2	60.000
C1	C3	H6	118.025	C1	C3	H9	118.025
C2	C1	C3	60.000	C2	C1	H4	118.025
C2	C1	H7	118.025	C2	C3	H6	118.025
C2	C3	H9	118.025	C3	C1	H4	118.025
C3	C1	H7	118.025	C3	C2	H5	118.025
C3	C2	H8	118.025	H4	C1	H7	114.286
H5	C2	H8	114.286	H6	C3	H9	114.286

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)